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CHEBI:135899 - atosiban

ChEBI IDCHEBI:135899
ChEBI Nameatosiban
Stars
Last Modified23 February 2017
DownloadsMolfile
FormulaC43H67N11O12S2
Net Charge0
Average Mass994.208
Monoisotopic Mass993.44121
SMILES[H][C@@]1([C@@H](C)O)NC(=O)[C@]([H])([C@@H](C)CC)NC(=O)[C@@H](Cc2ccc(OCC)cc2)NC(=O)CCSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCN)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC1=O
InChIInChI=1S/C43H67N11O12S2/c1-5-23(3)35-41(63)53-36(24(4)55)42(64)50-29(20-32(45)56)38(60)51-30(43(65)54-17-8-10-31(54)40(62)49-27(9-7-16-44)37(59)47-21-33(46)57)22-68-67-18-15-34(58)48-28(39(61)52-35)19-25-11-13-26(14-12-25)66-6-2/h11-14,23-24,27-31,35-36,55H,5-10,15-22,44H2,1-4H3,(H2,45,56)(H2,46,57)(H,47,59)(H,48,58)(H,49,62)(H,50,64)(H,51,60)(H,52,61)(H,53,63)/t23-,24+,27-,28+,29-,30-,31-,35-,36-/m0/s1
InChIKeyVWXRQYYUEIYXCZ-OBIMUBPZSA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
atosiban (CHEBI:135899) is a oligopeptide (CHEBI:25676)
Synonyms  Source
tractocilDrugCentral
tractocileDrugCentral
atosiban acetateDrugCentral
antocinDrugCentral
Antocin IIDrugCentral
Manual XrefsDatabases
3008DrugCentral
Registry NumbersSources
CAS:90779-69-4DrugCentral